USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 514 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 LYS NZ :NH3+ -119:sc= -0.606 (180deg=-3.66!) USER MOD Set 1.2: A 45 TYR OH : rot 160:sc= 1.16 USER MOD Set 2.1: A 14 CYS SG : rot -117:sc= -6.86! USER MOD Set 2.2: A 23 CYS SG : rot -13:sc= -2.2! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0771 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 170:sc= 0 (180deg=-0.125) USER MOD Single : A 7 THR OG1 : rot 59:sc= 0.0461 USER MOD Single : A 8 THR OG1 : rot 72:sc= 0.34 USER MOD Single : A 9 MET CE :methyl 135:sc= -0.0527 (180deg=-0.559) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.0252 F(o=-1.8,f=-0.025) USER MOD Single : A 16 HIS : no HE2:sc= -1.52 X(o=-1.5,f=-1.3) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -156:sc= -0.18 (180deg=-0.948) USER MOD Single : A 19 THR OG1 : rot -81:sc= -0.385 USER MOD Single : A 25 LYS NZ :NH3+ -147:sc= 0.183 (180deg=-0.00138) USER MOD Single : A 26 CYS SG : rot -90:sc= -3.53! USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.908 K(o=0.91,f=-3.8!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -113:sc= -0.282 (180deg=-1.2) USER MOD Single : A 70 THR OG1 : rot 89:sc= 0.555 USER MOD Single : A 71 GLN : amide:sc= 0.531 X(o=0.53,f=0.77) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.724 -9.934 2.167 1.00100.00 N ATOM 2 CA GLY A 1 -13.625 -9.254 0.857 1.00100.00 C ATOM 3 C GLY A 1 -13.394 -10.277 -0.204 1.00100.00 C ATOM 4 O GLY A 1 -14.050 -11.320 -0.228 1.00100.00 O ATOM 0 H1 GLY A 1 -13.885 -9.228 2.913 1.00100.00 H new ATOM 0 H2 GLY A 1 -14.517 -10.607 2.150 1.00100.00 H new ATOM 0 H3 GLY A 1 -12.840 -10.446 2.360 1.00100.00 H new ATOM 0 HA2 GLY A 1 -14.540 -8.698 0.651 1.00100.00 H new ATOM 0 HA3 GLY A 1 -12.809 -8.532 0.868 1.00100.00 H new ATOM 10 N SER A 2 -12.446 -9.970 -1.119 1.00100.00 N ATOM 11 CA SER A 2 -12.091 -10.855 -2.197 1.00100.00 C ATOM 12 C SER A 2 -11.158 -11.912 -1.657 1.00100.00 C ATOM 13 O SER A 2 -10.648 -11.798 -0.537 1.00100.00 O ATOM 14 CB SER A 2 -11.428 -10.124 -3.387 1.00100.00 C ATOM 15 OG SER A 2 -11.274 -11.004 -4.479 1.00100.00 O ATOM 0 H SER A 2 -11.919 -9.097 -1.111 1.00100.00 H new ATOM 0 HA SER A 2 -13.008 -11.299 -2.583 1.00100.00 H new ATOM 0 HB2 SER A 2 -12.037 -9.270 -3.683 1.00100.00 H new ATOM 0 HB3 SER A 2 -10.456 -9.733 -3.086 1.00100.00 H new ATOM 0 HG SER A 2 -10.855 -10.528 -5.226 1.00100.00 H new ATOM 21 N THR A 3 -10.931 -12.988 -2.453 1.00100.00 N ATOM 22 CA THR A 3 -10.067 -14.077 -2.070 1.00100.00 C ATOM 23 C THR A 3 -8.663 -13.632 -2.407 1.00100.00 C ATOM 24 O THR A 3 -8.042 -14.044 -3.391 1.00100.00 O ATOM 25 CB THR A 3 -10.431 -15.380 -2.753 1.00100.00 C ATOM 26 OG1 THR A 3 -11.783 -15.681 -2.489 1.00100.00 O ATOM 27 CG2 THR A 3 -9.559 -16.519 -2.229 1.00100.00 C ATOM 0 H THR A 3 -11.354 -13.102 -3.374 1.00100.00 H new ATOM 0 HA THR A 3 -10.169 -14.292 -1.006 1.00100.00 H new ATOM 0 HB THR A 3 -10.270 -15.271 -3.825 1.00100.00 H new ATOM 0 HG1 THR A 3 -12.023 -16.522 -2.930 1.00100.00 H new ATOM 0 HG21 THR A 3 -9.833 -17.447 -2.730 1.00100.00 H new ATOM 0 HG22 THR A 3 -8.511 -16.296 -2.428 1.00100.00 H new ATOM 0 HG23 THR A 3 -9.710 -16.628 -1.155 1.00100.00 H new ATOM 35 N ALA A 4 -8.174 -12.705 -1.566 1.00100.00 N ATOM 36 CA ALA A 4 -6.874 -12.113 -1.649 1.00100.00 C ATOM 37 C ALA A 4 -6.402 -11.969 -0.238 1.00100.00 C ATOM 38 O ALA A 4 -7.197 -11.942 0.710 1.00100.00 O ATOM 39 CB ALA A 4 -6.891 -10.711 -2.289 1.00100.00 C ATOM 0 H ALA A 4 -8.718 -12.347 -0.781 1.00100.00 H new ATOM 0 HA ALA A 4 -6.235 -12.740 -2.270 1.00100.00 H new ATOM 0 HB1 ALA A 4 -5.876 -10.315 -2.324 1.00100.00 H new ATOM 0 HB2 ALA A 4 -7.289 -10.778 -3.301 1.00100.00 H new ATOM 0 HB3 ALA A 4 -7.519 -10.047 -1.695 1.00100.00 H new ATOM 45 N MET A 5 -5.064 -11.874 -0.076 1.00100.00 N ATOM 46 CA MET A 5 -4.452 -11.733 1.217 1.00100.00 C ATOM 47 C MET A 5 -4.863 -10.447 1.875 1.00100.00 C ATOM 48 O MET A 5 -5.168 -9.463 1.201 1.00100.00 O ATOM 49 CB MET A 5 -2.907 -11.829 1.195 1.00100.00 C ATOM 50 CG MET A 5 -2.340 -10.635 0.434 1.00100.00 C ATOM 51 SD MET A 5 -0.543 -10.640 0.237 1.00100.00 S ATOM 52 CE MET A 5 -0.404 -11.953 -1.000 1.00100.00 C ATOM 0 H MET A 5 -4.400 -11.895 -0.850 1.00100.00 H new ATOM 0 HA MET A 5 -4.816 -12.581 1.797 1.00100.00 H new ATOM 0 HB2 MET A 5 -2.517 -11.845 2.213 1.00100.00 H new ATOM 0 HB3 MET A 5 -2.595 -12.759 0.720 1.00100.00 H new ATOM 0 HG2 MET A 5 -2.799 -10.602 -0.554 1.00100.00 H new ATOM 0 HG3 MET A 5 -2.631 -9.721 0.952 1.00100.00 H new ATOM 0 HE1 MET A 5 0.616 -11.985 -1.384 1.00100.00 H new ATOM 0 HE2 MET A 5 -0.650 -12.911 -0.543 1.00100.00 H new ATOM 0 HE3 MET A 5 -1.094 -11.755 -1.820 1.00100.00 H new ATOM 62 N ALA A 6 -5.122 -10.549 3.198 1.00100.00 N ATOM 63 CA ALA A 6 -5.544 -9.475 4.060 1.00100.00 C ATOM 64 C ALA A 6 -6.837 -8.826 3.623 1.00100.00 C ATOM 65 O ALA A 6 -7.040 -7.624 3.813 1.00100.00 O ATOM 66 CB ALA A 6 -4.432 -8.413 4.263 1.00100.00 C ATOM 0 H ALA A 6 -5.031 -11.434 3.696 1.00100.00 H new ATOM 0 HA ALA A 6 -5.741 -9.944 5.024 1.00100.00 H new ATOM 0 HB1 ALA A 6 -4.798 -7.624 4.920 1.00100.00 H new ATOM 0 HB2 ALA A 6 -3.558 -8.883 4.713 1.00100.00 H new ATOM 0 HB3 ALA A 6 -4.158 -7.984 3.299 1.00100.00 H new ATOM 72 N THR A 7 -7.751 -9.650 3.043 1.00100.00 N ATOM 73 CA THR A 7 -9.062 -9.281 2.558 1.00100.00 C ATOM 74 C THR A 7 -9.057 -8.075 1.656 1.00100.00 C ATOM 75 O THR A 7 -9.826 -7.129 1.848 1.00100.00 O ATOM 76 CB THR A 7 -10.141 -9.210 3.629 1.00100.00 C ATOM 77 OG1 THR A 7 -9.815 -8.216 4.577 1.00100.00 O ATOM 78 CG2 THR A 7 -10.274 -10.561 4.331 1.00100.00 C ATOM 0 H THR A 7 -7.558 -10.642 2.905 1.00100.00 H new ATOM 0 HA THR A 7 -9.349 -10.125 1.931 1.00100.00 H new ATOM 0 HB THR A 7 -11.089 -8.958 3.154 1.00100.00 H new ATOM 0 HG1 THR A 7 -9.737 -7.349 4.128 1.00100.00 H new ATOM 0 HG21 THR A 7 -11.049 -10.499 5.095 1.00100.00 H new ATOM 0 HG22 THR A 7 -10.544 -11.325 3.602 1.00100.00 H new ATOM 0 HG23 THR A 7 -9.324 -10.824 4.797 1.00100.00 H new ATOM 86 N THR A 8 -8.149 -8.080 0.653 1.00100.00 N ATOM 87 CA THR A 8 -8.038 -6.986 -0.282 1.00100.00 C ATOM 88 C THR A 8 -9.248 -7.012 -1.193 1.00100.00 C ATOM 89 O THR A 8 -9.641 -8.059 -1.708 1.00100.00 O ATOM 90 CB THR A 8 -6.750 -7.043 -1.085 1.00100.00 C ATOM 91 OG1 THR A 8 -5.656 -7.148 -0.210 1.00100.00 O ATOM 92 CG2 THR A 8 -6.559 -5.804 -1.954 1.00100.00 C ATOM 0 H THR A 8 -7.490 -8.841 0.488 1.00100.00 H new ATOM 0 HA THR A 8 -8.006 -6.049 0.274 1.00100.00 H new ATOM 0 HB THR A 8 -6.813 -7.913 -1.738 1.00100.00 H new ATOM 0 HG1 THR A 8 -5.639 -8.044 0.187 1.00100.00 H new ATOM 0 HG21 THR A 8 -5.625 -5.890 -2.510 1.00100.00 H new ATOM 0 HG22 THR A 8 -7.391 -5.718 -2.653 1.00100.00 H new ATOM 0 HG23 THR A 8 -6.525 -4.917 -1.321 1.00100.00 H new ATOM 100 N MET A 9 -9.874 -5.823 -1.367 1.00100.00 N ATOM 101 CA MET A 9 -11.039 -5.617 -2.198 1.00100.00 C ATOM 102 C MET A 9 -10.657 -5.219 -3.606 1.00100.00 C ATOM 103 O MET A 9 -11.521 -5.137 -4.482 1.00100.00 O ATOM 104 CB MET A 9 -11.961 -4.508 -1.653 1.00100.00 C ATOM 105 CG MET A 9 -12.880 -5.024 -0.548 1.00100.00 C ATOM 106 SD MET A 9 -12.062 -5.528 0.984 1.00100.00 S ATOM 107 CE MET A 9 -11.419 -3.925 1.524 1.00100.00 C ATOM 0 H MET A 9 -9.556 -4.968 -0.910 1.00100.00 H new ATOM 0 HA MET A 9 -11.563 -6.573 -2.195 1.00100.00 H new ATOM 0 HB2 MET A 9 -11.355 -3.688 -1.268 1.00100.00 H new ATOM 0 HB3 MET A 9 -12.563 -4.104 -2.467 1.00100.00 H new ATOM 0 HG2 MET A 9 -13.605 -4.245 -0.311 1.00100.00 H new ATOM 0 HG3 MET A 9 -13.441 -5.875 -0.935 1.00100.00 H new ATOM 0 HE1 MET A 9 -11.614 -3.794 2.588 1.00100.00 H new ATOM 0 HE2 MET A 9 -10.345 -3.885 1.345 1.00100.00 H new ATOM 0 HE3 MET A 9 -11.910 -3.129 0.965 1.00100.00 H new ATOM 117 N GLU A 10 -9.332 -5.114 -3.879 1.00100.00 N ATOM 118 CA GLU A 10 -8.715 -4.744 -5.130 1.00100.00 C ATOM 119 C GLU A 10 -9.140 -3.384 -5.623 1.00100.00 C ATOM 120 O GLU A 10 -9.282 -3.139 -6.824 1.00100.00 O ATOM 121 CB GLU A 10 -8.843 -5.847 -6.212 1.00100.00 C ATOM 122 CG GLU A 10 -8.290 -7.164 -5.666 1.00100.00 C ATOM 123 CD GLU A 10 -8.362 -8.283 -6.699 1.00100.00 C ATOM 124 OE1 GLU A 10 -9.290 -8.234 -7.535 1.00100.00 O1- ATOM 125 OE2 GLU A 10 -7.490 -9.175 -6.625 1.00100.00 O ATOM 0 H GLU A 10 -8.634 -5.305 -3.160 1.00100.00 H new ATOM 0 HA GLU A 10 -7.650 -4.655 -4.917 1.00100.00 H new ATOM 0 HB2 GLU A 10 -9.887 -5.970 -6.499 1.00100.00 H new ATOM 0 HB3 GLU A 10 -8.298 -5.556 -7.110 1.00100.00 H new ATOM 0 HG2 GLU A 10 -7.255 -7.022 -5.356 1.00100.00 H new ATOM 0 HG3 GLU A 10 -8.852 -7.453 -4.778 1.00100.00 H new ATOM 132 N GLN A 11 -9.332 -2.453 -4.659 1.00100.00 N ATOM 133 CA GLN A 11 -9.708 -1.094 -4.936 1.00100.00 C ATOM 134 C GLN A 11 -8.679 -0.134 -4.376 1.00100.00 C ATOM 135 O GLN A 11 -8.991 1.022 -4.083 1.00100.00 O ATOM 136 CB GLN A 11 -11.153 -0.736 -4.492 1.00100.00 C ATOM 137 CG GLN A 11 -11.396 -1.029 -3.016 1.00100.00 C ATOM 138 CD GLN A 11 -12.813 -0.638 -2.613 1.00100.00 C ATOM 139 OE1 GLN A 11 -13.564 -1.591 -2.056 1.00100.00 O flip ATOM 140 NE2 GLN A 11 -13.219 0.505 -2.798 1.00100.00 N flip ATOM 0 H GLN A 11 -9.223 -2.651 -3.664 1.00100.00 H new ATOM 0 HA GLN A 11 -9.722 -0.990 -6.021 1.00100.00 H new ATOM 0 HB2 GLN A 11 -11.338 0.321 -4.685 1.00100.00 H new ATOM 0 HB3 GLN A 11 -11.866 -1.300 -5.094 1.00100.00 H new ATOM 0 HG2 GLN A 11 -11.237 -2.089 -2.820 1.00100.00 H new ATOM 0 HG3 GLN A 11 -10.676 -0.481 -2.408 1.00100.00 H new ATOM 0 HE21 GLN A 11 -12.608 1.200 -3.227 1.00100.00 H new ATOM 0 HE22 GLN A 11 -14.167 0.760 -2.522 1.00100.00 H new ATOM 149 N GLU A 12 -7.409 -0.607 -4.238 1.00100.00 N ATOM 150 CA GLU A 12 -6.272 0.139 -3.744 1.00100.00 C ATOM 151 C GLU A 12 -6.457 0.812 -2.406 1.00100.00 C ATOM 152 O GLU A 12 -6.251 2.019 -2.255 1.00100.00 O ATOM 153 CB GLU A 12 -5.684 1.103 -4.802 1.00100.00 C ATOM 154 CG GLU A 12 -5.192 0.335 -6.028 1.00100.00 C ATOM 155 CD GLU A 12 -4.546 1.262 -7.052 1.00100.00 C ATOM 156 OE1 GLU A 12 -4.510 2.484 -6.787 1.00100.00 O1- ATOM 157 OE2 GLU A 12 -4.093 0.727 -8.087 1.00100.00 O ATOM 0 H GLU A 12 -7.165 -1.566 -4.486 1.00100.00 H new ATOM 0 HA GLU A 12 -5.531 -0.637 -3.550 1.00100.00 H new ATOM 0 HB2 GLU A 12 -6.442 1.826 -5.102 1.00100.00 H new ATOM 0 HB3 GLU A 12 -4.859 1.667 -4.367 1.00100.00 H new ATOM 0 HG2 GLU A 12 -4.472 -0.423 -5.718 1.00100.00 H new ATOM 0 HG3 GLU A 12 -6.029 -0.190 -6.489 1.00100.00 H new ATOM 164 N ILE A 13 -6.887 0.011 -1.402 1.00100.00 N ATOM 165 CA ILE A 13 -7.115 0.529 -0.078 1.00100.00 C ATOM 166 C ILE A 13 -6.027 0.130 0.883 1.00100.00 C ATOM 167 O ILE A 13 -5.731 -1.050 1.085 1.00100.00 O ATOM 168 CB ILE A 13 -8.480 0.176 0.520 1.00100.00 C ATOM 169 CG1 ILE A 13 -8.758 -1.329 0.680 1.00100.00 C ATOM 170 CG2 ILE A 13 -9.549 0.845 -0.340 1.00100.00 C ATOM 171 CD1 ILE A 13 -8.705 -2.151 -0.610 1.00100.00 C ATOM 0 H ILE A 13 -7.075 -0.986 -1.506 1.00100.00 H new ATOM 0 HA ILE A 13 -7.102 1.610 -0.216 1.00100.00 H new ATOM 0 HB ILE A 13 -8.492 0.549 1.544 1.00100.00 H new ATOM 0 HG12 ILE A 13 -8.034 -1.741 1.383 1.00100.00 H new ATOM 0 HG13 ILE A 13 -9.744 -1.453 1.129 1.00100.00 H new ATOM 0 HG21 ILE A 13 -10.536 0.613 0.060 1.00100.00 H new ATOM 0 HG22 ILE A 13 -9.399 1.925 -0.332 1.00100.00 H new ATOM 0 HG23 ILE A 13 -9.476 0.476 -1.363 1.00100.00 H new ATOM 0 HD11 ILE A 13 -8.915 -3.196 -0.384 1.00100.00 H new ATOM 0 HD12 ILE A 13 -9.449 -1.775 -1.312 1.00100.00 H new ATOM 0 HD13 ILE A 13 -7.713 -2.068 -1.054 1.00100.00 H new ATOM 183 N CYS A 14 -5.373 1.169 1.436 1.00100.00 N ATOM 184 CA CYS A 14 -4.309 1.115 2.411 1.00100.00 C ATOM 185 C CYS A 14 -4.127 2.495 2.976 1.00100.00 C ATOM 186 O CYS A 14 -4.834 3.434 2.596 1.00100.00 O ATOM 187 CB CYS A 14 -2.929 0.658 1.899 1.00100.00 C ATOM 188 SG CYS A 14 -3.021 -1.060 1.368 1.00100.00 S ATOM 0 H CYS A 14 -5.604 2.130 1.183 1.00100.00 H new ATOM 0 HA CYS A 14 -4.628 0.362 3.132 1.00100.00 H new ATOM 0 HB2 CYS A 14 -2.610 1.289 1.069 1.00100.00 H new ATOM 0 HB3 CYS A 14 -2.183 0.766 2.687 1.00100.00 H new ATOM 0 HG CYS A 14 -2.231 -1.785 2.104 1.00100.00 H new ATOM 193 N ALA A 15 -3.193 2.635 3.956 1.00100.00 N ATOM 194 CA ALA A 15 -2.842 3.906 4.552 1.00100.00 C ATOM 195 C ALA A 15 -2.277 4.754 3.430 1.00100.00 C ATOM 196 O ALA A 15 -2.597 5.937 3.311 1.00100.00 O ATOM 197 CB ALA A 15 -1.755 3.770 5.638 1.00100.00 C ATOM 0 H ALA A 15 -2.671 1.848 4.341 1.00100.00 H new ATOM 0 HA ALA A 15 -3.724 4.336 5.026 1.00100.00 H new ATOM 0 HB1 ALA A 15 -1.529 4.753 6.052 1.00100.00 H new ATOM 0 HB2 ALA A 15 -2.114 3.115 6.432 1.00100.00 H new ATOM 0 HB3 ALA A 15 -0.852 3.346 5.198 1.00100.00 H new ATOM 203 N HIS A 16 -1.423 4.125 2.582 1.00100.00 N ATOM 204 CA HIS A 16 -0.826 4.725 1.422 1.00100.00 C ATOM 205 C HIS A 16 -1.710 4.419 0.226 1.00100.00 C ATOM 206 O HIS A 16 -2.803 3.868 0.368 1.00100.00 O ATOM 207 CB HIS A 16 0.658 4.347 1.225 1.00100.00 C ATOM 208 CG HIS A 16 1.506 4.837 2.365 1.00100.00 C ATOM 209 ND1 HIS A 16 2.034 6.100 2.497 1.00100.00 N ATOM 210 CD2 HIS A 16 1.841 4.125 3.481 1.00100.00 C ATOM 211 CE1 HIS A 16 2.688 6.136 3.673 1.00100.00 C ATOM 212 NE2 HIS A 16 2.600 4.958 4.310 1.00100.00 N ATOM 0 H HIS A 16 -1.139 3.154 2.716 1.00100.00 H new ATOM 0 HA HIS A 16 -0.780 5.806 1.556 1.00100.00 H new ATOM 0 HB2 HIS A 16 0.751 3.264 1.140 1.00100.00 H new ATOM 0 HB3 HIS A 16 1.022 4.773 0.290 1.00100.00 H new ATOM 0 HD1 HIS A 16 1.946 6.866 1.829 1.00100.00 H new ATOM 0 HD2 HIS A 16 1.568 3.101 3.687 1.00100.00 H new ATOM 0 HE1 HIS A 16 3.214 6.999 4.054 1.00100.00 H new ATOM 220 N SER A 17 -1.260 4.795 -0.988 1.00100.00 N ATOM 221 CA SER A 17 -1.999 4.637 -2.213 1.00100.00 C ATOM 222 C SER A 17 -2.409 3.266 -2.682 1.00100.00 C ATOM 223 O SER A 17 -3.550 3.105 -3.115 1.00100.00 O ATOM 224 CB SER A 17 -1.270 5.331 -3.385 1.00100.00 C ATOM 225 OG SER A 17 -0.012 4.728 -3.593 1.00100.00 O ATOM 0 H SER A 17 -0.346 5.226 -1.125 1.00100.00 H new ATOM 0 HA SER A 17 -2.942 5.102 -1.924 1.00100.00 H new ATOM 0 HB2 SER A 17 -1.871 5.260 -4.291 1.00100.00 H new ATOM 0 HB3 SER A 17 -1.143 6.392 -3.169 1.00100.00 H new ATOM 0 HG SER A 17 0.444 5.172 -4.338 1.00100.00 H new ATOM 231 N MET A 18 -1.512 2.260 -2.601 1.00100.00 N ATOM 232 CA MET A 18 -1.793 0.928 -3.089 1.00100.00 C ATOM 233 C MET A 18 -2.532 -0.022 -2.176 1.00100.00 C ATOM 234 O MET A 18 -3.223 0.417 -1.261 1.00100.00 O ATOM 235 CB MET A 18 -0.549 0.258 -3.703 1.00100.00 C ATOM 236 CG MET A 18 0.046 1.098 -4.829 1.00100.00 C ATOM 237 SD MET A 18 -1.043 1.231 -6.273 1.00100.00 S ATOM 238 CE MET A 18 -1.158 -0.524 -6.719 1.00100.00 C ATOM 0 H MET A 18 -0.582 2.366 -2.195 1.00100.00 H new ATOM 0 HA MET A 18 -2.528 1.133 -3.868 1.00100.00 H new ATOM 0 HB2 MET A 18 0.202 0.104 -2.928 1.00100.00 H new ATOM 0 HB3 MET A 18 -0.818 -0.726 -4.086 1.00100.00 H new ATOM 0 HG2 MET A 18 0.263 2.098 -4.452 1.00100.00 H new ATOM 0 HG3 MET A 18 0.996 0.661 -5.137 1.00100.00 H new ATOM 0 HE1 MET A 18 -1.409 -0.615 -7.776 1.00100.00 H new ATOM 0 HE2 MET A 18 -0.201 -1.011 -6.530 1.00100.00 H new ATOM 0 HE3 MET A 18 -1.933 -1.002 -6.120 1.00100.00 H new ATOM 248 N THR A 19 -2.736 -1.268 -2.689 1.00100.00 N ATOM 249 CA THR A 19 -3.429 -2.367 -2.049 1.00100.00 C ATOM 250 C THR A 19 -2.632 -2.958 -0.915 1.00100.00 C ATOM 251 O THR A 19 -1.444 -2.673 -0.761 1.00100.00 O ATOM 252 CB THR A 19 -3.743 -3.519 -2.993 1.00100.00 C ATOM 253 OG1 THR A 19 -2.546 -4.018 -3.541 1.00100.00 O ATOM 254 CG2 THR A 19 -4.674 -3.066 -4.115 1.00100.00 C ATOM 0 H THR A 19 -2.392 -1.522 -3.615 1.00100.00 H new ATOM 0 HA THR A 19 -4.355 -1.916 -1.691 1.00100.00 H new ATOM 0 HB THR A 19 -4.245 -4.304 -2.427 1.00100.00 H new ATOM 0 HG1 THR A 19 -2.266 -3.449 -4.288 1.00100.00 H new ATOM 0 HG21 THR A 19 -4.883 -3.907 -4.776 1.00100.00 H new ATOM 0 HG22 THR A 19 -5.607 -2.699 -3.688 1.00100.00 H new ATOM 0 HG23 THR A 19 -4.197 -2.268 -4.684 1.00100.00 H new ATOM 262 N PHE A 20 -3.298 -3.815 -0.091 1.00100.00 N ATOM 263 CA PHE A 20 -2.706 -4.483 1.051 1.00100.00 C ATOM 264 C PHE A 20 -1.561 -5.348 0.598 1.00100.00 C ATOM 265 O PHE A 20 -0.517 -5.392 1.246 1.00100.00 O ATOM 266 CB PHE A 20 -3.689 -5.383 1.825 1.00100.00 C ATOM 267 CG PHE A 20 -4.733 -4.563 2.540 1.00100.00 C ATOM 268 CD1 PHE A 20 -4.349 -3.724 3.595 1.00100.00 C ATOM 269 CD2 PHE A 20 -6.074 -4.606 2.136 1.00100.00 C ATOM 270 CE1 PHE A 20 -5.303 -2.931 4.247 1.00100.00 C ATOM 271 CE2 PHE A 20 -7.030 -3.818 2.789 1.00100.00 C ATOM 272 CZ PHE A 20 -6.644 -2.979 3.844 1.00100.00 C ATOM 0 H PHE A 20 -4.281 -4.050 -0.225 1.00100.00 H new ATOM 0 HA PHE A 20 -2.380 -3.687 1.720 1.00100.00 H new ATOM 0 HB2 PHE A 20 -4.175 -6.073 1.135 1.00100.00 H new ATOM 0 HB3 PHE A 20 -3.141 -5.988 2.547 1.00100.00 H new ATOM 0 HD1 PHE A 20 -3.315 -3.689 3.906 1.00100.00 H new ATOM 0 HD2 PHE A 20 -6.371 -5.248 1.320 1.00100.00 H new ATOM 0 HE1 PHE A 20 -5.005 -2.284 5.059 1.00100.00 H new ATOM 0 HE2 PHE A 20 -8.064 -3.857 2.480 1.00100.00 H new ATOM 0 HZ PHE A 20 -7.381 -2.369 4.346 1.00100.00 H new ATOM 282 N GLU A 21 -1.730 -6.019 -0.565 1.00100.00 N ATOM 283 CA GLU A 21 -0.753 -6.879 -1.189 1.00100.00 C ATOM 284 C GLU A 21 0.479 -6.073 -1.531 1.00100.00 C ATOM 285 O GLU A 21 1.605 -6.541 -1.356 1.00100.00 O ATOM 286 CB GLU A 21 -1.285 -7.456 -2.515 1.00100.00 C ATOM 287 CG GLU A 21 -2.579 -8.238 -2.312 1.00100.00 C ATOM 288 CD GLU A 21 -3.100 -8.804 -3.630 1.00100.00 C ATOM 289 OE1 GLU A 21 -2.854 -8.155 -4.670 1.00100.00 O1- ATOM 290 OE2 GLU A 21 -3.742 -9.874 -3.571 1.00100.00 O ATOM 0 H GLU A 21 -2.596 -5.959 -1.101 1.00100.00 H new ATOM 0 HA GLU A 21 -0.532 -7.685 -0.490 1.00100.00 H new ATOM 0 HB2 GLU A 21 -1.458 -6.644 -3.222 1.00100.00 H new ATOM 0 HB3 GLU A 21 -0.531 -8.108 -2.956 1.00100.00 H new ATOM 0 HG2 GLU A 21 -2.407 -9.052 -1.607 1.00100.00 H new ATOM 0 HG3 GLU A 21 -3.334 -7.587 -1.870 1.00100.00 H new ATOM 297 N GLU A 22 0.267 -4.821 -1.998 1.00100.00 N ATOM 298 CA GLU A 22 1.298 -3.904 -2.405 1.00100.00 C ATOM 299 C GLU A 22 1.747 -2.993 -1.269 1.00100.00 C ATOM 300 O GLU A 22 2.542 -2.077 -1.502 1.00100.00 O ATOM 301 CB GLU A 22 0.807 -3.040 -3.589 1.00100.00 C ATOM 302 CG GLU A 22 0.346 -3.877 -4.782 1.00100.00 C ATOM 303 CD GLU A 22 1.489 -4.664 -5.403 1.00100.00 C ATOM 304 OE1 GLU A 22 2.280 -4.034 -6.138 1.00100.00 O1- ATOM 305 OE2 GLU A 22 1.543 -5.885 -5.141 1.00100.00 O ATOM 0 H GLU A 22 -0.670 -4.430 -2.096 1.00100.00 H new ATOM 0 HA GLU A 22 2.155 -4.506 -2.709 1.00100.00 H new ATOM 0 HB2 GLU A 22 -0.016 -2.408 -3.255 1.00100.00 H new ATOM 0 HB3 GLU A 22 1.611 -2.376 -3.906 1.00100.00 H new ATOM 0 HG2 GLU A 22 -0.436 -4.566 -4.461 1.00100.00 H new ATOM 0 HG3 GLU A 22 -0.095 -3.223 -5.535 1.00100.00 H new ATOM 312 N CYS A 23 1.298 -3.246 0.002 1.00100.00 N ATOM 313 CA CYS A 23 1.672 -2.429 1.141 1.00100.00 C ATOM 314 C CYS A 23 3.163 -2.359 1.390 1.00100.00 C ATOM 315 O CYS A 23 3.624 -1.236 1.619 1.00100.00 O ATOM 316 CB CYS A 23 1.065 -2.827 2.511 1.00100.00 C ATOM 317 SG CYS A 23 -0.631 -2.252 2.678 1.00100.00 S ATOM 0 H CYS A 23 0.675 -4.019 0.234 1.00100.00 H new ATOM 0 HA CYS A 23 1.257 -1.475 0.816 1.00100.00 H new ATOM 0 HB2 CYS A 23 1.094 -3.911 2.621 1.00100.00 H new ATOM 0 HB3 CYS A 23 1.672 -2.408 3.314 1.00100.00 H new ATOM 0 HG CYS A 23 -0.895 -1.398 1.734 1.00100.00 H new ATOM 322 N PRO A 24 3.977 -3.470 1.355 1.00100.00 N ATOM 323 CA PRO A 24 5.406 -3.374 1.567 1.00100.00 C ATOM 324 C PRO A 24 6.077 -2.496 0.539 1.00100.00 C ATOM 325 O PRO A 24 7.029 -1.800 0.892 1.00100.00 O ATOM 326 CB PRO A 24 5.944 -4.805 1.608 1.00100.00 C ATOM 327 CG PRO A 24 4.903 -5.570 0.792 1.00100.00 C ATOM 328 CD PRO A 24 3.592 -4.842 1.086 1.00100.00 C ATOM 0 HA PRO A 24 5.631 -2.878 2.511 1.00100.00 H new ATOM 0 HB2 PRO A 24 6.939 -4.878 1.168 1.00100.00 H new ATOM 0 HB3 PRO A 24 6.018 -5.182 2.628 1.00100.00 H new ATOM 0 HG2 PRO A 24 5.139 -5.553 -0.272 1.00100.00 H new ATOM 0 HG3 PRO A 24 4.853 -6.617 1.090 1.00100.00 H new ATOM 0 HD2 PRO A 24 2.909 -4.901 0.239 1.00100.00 H new ATOM 0 HD3 PRO A 24 3.079 -5.283 1.941 1.00100.00 H new ATOM 336 N LYS A 25 5.587 -2.527 -0.724 1.00100.00 N ATOM 337 CA LYS A 25 6.086 -1.742 -1.829 1.00100.00 C ATOM 338 C LYS A 25 5.845 -0.275 -1.598 1.00100.00 C ATOM 339 O LYS A 25 6.713 0.551 -1.883 1.00100.00 O ATOM 340 CB LYS A 25 5.460 -2.175 -3.156 1.00100.00 C ATOM 341 CG LYS A 25 5.829 -3.628 -3.445 1.00100.00 C ATOM 342 CD LYS A 25 5.155 -4.062 -4.741 1.00100.00 C ATOM 343 CE LYS A 25 5.492 -5.520 -5.040 1.00100.00 C ATOM 344 NZ LYS A 25 4.799 -5.977 -6.254 1.00100.00 N1+ ATOM 0 H LYS A 25 4.806 -3.127 -0.988 1.00100.00 H new ATOM 0 HA LYS A 25 7.160 -1.916 -1.889 1.00100.00 H new ATOM 0 HB2 LYS A 25 4.376 -2.066 -3.111 1.00100.00 H new ATOM 0 HB3 LYS A 25 5.812 -1.532 -3.963 1.00100.00 H new ATOM 0 HG2 LYS A 25 6.911 -3.732 -3.530 1.00100.00 H new ATOM 0 HG3 LYS A 25 5.511 -4.268 -2.622 1.00100.00 H new ATOM 0 HD2 LYS A 25 4.075 -3.939 -4.658 1.00100.00 H new ATOM 0 HD3 LYS A 25 5.486 -3.427 -5.563 1.00100.00 H new ATOM 0 HE2 LYS A 25 6.569 -5.631 -5.167 1.00100.00 H new ATOM 0 HE3 LYS A 25 5.205 -6.145 -4.195 1.00100.00 H new ATOM 0 HZ1 LYS A 25 4.561 -6.985 -6.159 1.00100.00 H new ATOM 0 HZ2 LYS A 25 3.927 -5.426 -6.384 1.00100.00 H new ATOM 0 HZ3 LYS A 25 5.419 -5.844 -7.078 1.00100.00 H new ATOM 358 N CYS A 26 4.658 0.058 -1.030 1.00100.00 N ATOM 359 CA CYS A 26 4.232 1.401 -0.693 1.00100.00 C ATOM 360 C CYS A 26 5.020 1.941 0.472 1.00100.00 C ATOM 361 O CYS A 26 4.949 3.140 0.755 1.00100.00 O ATOM 362 CB CYS A 26 2.772 1.465 -0.220 1.00100.00 C ATOM 363 SG CYS A 26 1.711 1.322 -1.658 1.00100.00 S ATOM 0 H CYS A 26 3.958 -0.645 -0.793 1.00100.00 H new ATOM 0 HA CYS A 26 4.376 1.971 -1.611 1.00100.00 H new ATOM 0 HB2 CYS A 26 2.566 0.661 0.486 1.00100.00 H new ATOM 0 HB3 CYS A 26 2.582 2.403 0.301 1.00100.00 H new ATOM 0 HG CYS A 26 1.464 2.506 -2.134 1.00100.00 H new ATOM 369 N SER A 27 5.820 1.062 1.142 1.00100.00 N ATOM 370 CA SER A 27 6.610 1.334 2.311 1.00100.00 C ATOM 371 C SER A 27 5.673 1.737 3.422 1.00100.00 C ATOM 372 O SER A 27 5.949 2.627 4.228 1.00100.00 O ATOM 373 CB SER A 27 7.727 2.379 2.054 1.00100.00 C ATOM 374 OG SER A 27 8.573 1.925 1.022 1.00100.00 O ATOM 0 H SER A 27 5.914 0.094 0.836 1.00100.00 H new ATOM 0 HA SER A 27 7.150 0.433 2.602 1.00100.00 H new ATOM 0 HB2 SER A 27 7.286 3.338 1.781 1.00100.00 H new ATOM 0 HB3 SER A 27 8.303 2.541 2.965 1.00100.00 H new ATOM 0 HG SER A 27 9.277 2.588 0.860 1.00100.00 H new ATOM 380 N ALA A 28 4.512 1.028 3.459 1.00100.00 N ATOM 381 CA ALA A 28 3.469 1.208 4.427 1.00100.00 C ATOM 382 C ALA A 28 3.946 0.858 5.792 1.00100.00 C ATOM 383 O ALA A 28 3.620 1.560 6.744 1.00100.00 O ATOM 384 CB ALA A 28 2.203 0.385 4.141 1.00100.00 C ATOM 0 H ALA A 28 4.299 0.298 2.779 1.00100.00 H new ATOM 0 HA ALA A 28 3.205 2.263 4.360 1.00100.00 H new ATOM 0 HB1 ALA A 28 1.462 0.576 4.917 1.00100.00 H new ATOM 0 HB2 ALA A 28 1.795 0.670 3.171 1.00100.00 H new ATOM 0 HB3 ALA A 28 2.453 -0.676 4.131 1.00100.00 H new ATOM 390 N LEU A 29 4.742 -0.231 5.911 1.00100.00 N ATOM 391 CA LEU A 29 5.282 -0.693 7.166 1.00100.00 C ATOM 392 C LEU A 29 6.186 0.370 7.755 1.00100.00 C ATOM 393 O LEU A 29 6.101 0.682 8.944 1.00100.00 O ATOM 394 CB LEU A 29 6.114 -1.978 6.966 1.00100.00 C ATOM 395 CG LEU A 29 5.296 -3.074 6.277 1.00100.00 C ATOM 396 CD1 LEU A 29 6.186 -4.296 6.060 1.00100.00 C ATOM 397 CD2 LEU A 29 4.091 -3.475 7.127 1.00100.00 C ATOM 0 H LEU A 29 5.018 -0.806 5.115 1.00100.00 H new ATOM 0 HA LEU A 29 4.447 -0.901 7.836 1.00100.00 H new ATOM 0 HB2 LEU A 29 6.997 -1.752 6.369 1.00100.00 H new ATOM 0 HB3 LEU A 29 6.467 -2.339 7.932 1.00100.00 H new ATOM 0 HG LEU A 29 4.933 -2.691 5.323 1.00100.00 H new ATOM 0 HD11 LEU A 29 5.612 -5.082 5.570 1.00100.00 H new ATOM 0 HD12 LEU A 29 7.034 -4.022 5.433 1.00100.00 H new ATOM 0 HD13 LEU A 29 6.548 -4.658 7.022 1.00100.00 H new ATOM 0 HD21 LEU A 29 3.527 -4.255 6.614 1.00100.00 H new ATOM 0 HD22 LEU A 29 4.434 -3.850 8.091 1.00100.00 H new ATOM 0 HD23 LEU A 29 3.450 -2.607 7.282 1.00100.00 H new ATOM 409 N GLN A 30 7.066 0.960 6.922 1.00100.00 N ATOM 410 CA GLN A 30 7.972 2.004 7.313 1.00100.00 C ATOM 411 C GLN A 30 7.283 3.295 7.653 1.00100.00 C ATOM 412 O GLN A 30 7.714 3.996 8.570 1.00100.00 O ATOM 413 CB GLN A 30 9.065 2.293 6.274 1.00100.00 C ATOM 414 CG GLN A 30 9.897 1.043 5.995 1.00100.00 C ATOM 415 CD GLN A 30 11.050 1.357 5.051 1.00100.00 C ATOM 416 OE1 GLN A 30 11.050 2.388 4.380 1.00100.00 O ATOM 417 NE2 GLN A 30 12.044 0.465 5.004 1.00100.00 N ATOM 0 H GLN A 30 7.151 0.702 5.939 1.00100.00 H new ATOM 0 HA GLN A 30 8.442 1.605 8.212 1.00100.00 H new ATOM 0 HB2 GLN A 30 8.609 2.645 5.349 1.00100.00 H new ATOM 0 HB3 GLN A 30 9.712 3.093 6.634 1.00100.00 H new ATOM 0 HG2 GLN A 30 10.287 0.644 6.932 1.00100.00 H new ATOM 0 HG3 GLN A 30 9.264 0.270 5.558 1.00100.00 H new ATOM 0 HE21 GLN A 30 12.002 -0.377 5.579 1.00100.00 H new ATOM 0 HE22 GLN A 30 12.845 0.626 4.394 1.00100.00 H new ATOM 426 N TYR A 31 6.179 3.612 6.924 1.00100.00 N ATOM 427 CA TYR A 31 5.425 4.846 7.032 1.00100.00 C ATOM 428 C TYR A 31 6.217 6.039 6.568 1.00100.00 C ATOM 429 O TYR A 31 5.970 7.186 6.949 1.00100.00 O ATOM 430 CB TYR A 31 4.712 5.139 8.387 1.00100.00 C ATOM 431 CG TYR A 31 3.526 4.226 8.586 1.00100.00 C ATOM 432 CD1 TYR A 31 2.372 4.429 7.817 1.00100.00 C ATOM 433 CD2 TYR A 31 3.588 3.162 9.498 1.00100.00 C ATOM 434 CE1 TYR A 31 1.272 3.573 7.954 1.00100.00 C ATOM 435 CE2 TYR A 31 2.490 2.302 9.644 1.00100.00 C ATOM 436 CZ TYR A 31 1.328 2.504 8.871 1.00100.00 C ATOM 437 OH TYR A 31 0.261 1.666 9.004 1.00100.00 O ATOM 0 H TYR A 31 5.793 2.977 6.225 1.00100.00 H new ATOM 0 HA TYR A 31 4.597 4.664 6.347 1.00100.00 H new ATOM 0 HB2 TYR A 31 5.417 5.009 9.208 1.00100.00 H new ATOM 0 HB3 TYR A 31 4.383 6.178 8.411 1.00100.00 H new ATOM 0 HD1 TYR A 31 2.331 5.249 7.116 1.00100.00 H new ATOM 0 HD2 TYR A 31 4.480 3.005 10.087 1.00100.00 H new ATOM 0 HE1 TYR A 31 0.384 3.731 7.359 1.00100.00 H new ATOM 0 HE2 TYR A 31 2.534 1.485 10.349 1.00100.00 H new ATOM 0 HH TYR A 31 0.464 0.983 9.677 1.00100.00 H new ATOM 447 N ARG A 32 7.195 5.763 5.681 1.00100.00 N ATOM 448 CA ARG A 32 8.051 6.731 5.070 1.00100.00 C ATOM 449 C ARG A 32 7.777 6.485 3.621 1.00100.00 C ATOM 450 O ARG A 32 7.947 5.361 3.144 1.00100.00 O ATOM 451 CB ARG A 32 9.543 6.465 5.339 1.00100.00 C ATOM 452 CG ARG A 32 9.843 6.625 6.828 1.00100.00 C ATOM 453 CD ARG A 32 11.339 6.442 7.081 1.00100.00 C ATOM 454 NE ARG A 32 12.122 7.484 6.411 1.00100.00 N ATOM 455 CZ ARG A 32 12.333 8.707 6.920 1.00100.00 C ATOM 456 NH1 ARG A 32 11.837 9.042 8.119 1.00100.00 N1+ ATOM 457 NH2 ARG A 32 13.044 9.602 6.220 1.00100.00 N ATOM 0 H ARG A 32 7.397 4.811 5.376 1.00100.00 H new ATOM 0 HA ARG A 32 7.865 7.741 5.435 1.00100.00 H new ATOM 0 HB2 ARG A 32 9.806 5.459 5.013 1.00100.00 H new ATOM 0 HB3 ARG A 32 10.154 7.157 4.760 1.00100.00 H new ATOM 0 HG2 ARG A 32 9.526 7.611 7.168 1.00100.00 H new ATOM 0 HG3 ARG A 32 9.276 5.893 7.403 1.00100.00 H new ATOM 0 HD2 ARG A 32 11.535 6.469 8.153 1.00100.00 H new ATOM 0 HD3 ARG A 32 11.653 5.461 6.724 1.00100.00 H new ATOM 0 HE ARG A 32 12.531 7.266 5.503 1.00100.00 H new ATOM 0 HH11 ARG A 32 11.293 8.364 8.653 1.00100.00 H new ATOM 0 HH12 ARG A 32 12.003 9.975 8.497 1.00100.00 H new ATOM 0 HH21 ARG A 32 13.421 9.351 5.306 1.00100.00 H new ATOM 0 HH22 ARG A 32 13.208 10.534 6.601 1.00100.00 H new ATOM 471 N ASN A 33 7.369 7.537 2.877 1.00100.00 N ATOM 472 CA ASN A 33 7.047 7.386 1.483 1.00100.00 C ATOM 473 C ASN A 33 8.343 7.373 0.730 1.00100.00 C ATOM 474 O ASN A 33 9.071 8.365 0.716 1.00100.00 O ATOM 475 CB ASN A 33 6.135 8.537 0.994 1.00100.00 C ATOM 476 CG ASN A 33 5.630 8.314 -0.423 1.00100.00 C ATOM 477 OD1 ASN A 33 6.343 7.783 -1.271 1.00100.00 O ATOM 478 ND2 ASN A 33 4.389 8.731 -0.680 1.00100.00 N ATOM 0 H ASN A 33 7.262 8.485 3.237 1.00100.00 H new ATOM 0 HA ASN A 33 6.497 6.460 1.317 1.00100.00 H new ATOM 0 HB2 ASN A 33 5.285 8.635 1.669 1.00100.00 H new ATOM 0 HB3 ASN A 33 6.686 9.477 1.037 1.00100.00 H new ATOM 0 HD21 ASN A 33 3.995 8.614 -1.613 1.00100.00 H new ATOM 0 HD22 ASN A 33 3.834 9.167 0.057 1.00100.00 H new ATOM 485 N GLY A 34 8.616 6.220 0.072 1.00100.00 N ATOM 486 CA GLY A 34 9.810 5.957 -0.692 1.00100.00 C ATOM 487 C GLY A 34 9.998 6.867 -1.861 1.00100.00 C ATOM 488 O GLY A 34 11.130 7.286 -2.118 1.00100.00 O ATOM 0 H GLY A 34 7.970 5.431 0.074 1.00100.00 H new ATOM 0 HA2 GLY A 34 10.675 6.043 -0.035 1.00100.00 H new ATOM 0 HA3 GLY A 34 9.781 4.927 -1.048 1.00100.00 H new ATOM 492 N PHE A 35 8.897 7.162 -2.596 1.00100.00 N ATOM 493 CA PHE A 35 8.961 8.036 -3.735 1.00100.00 C ATOM 494 C PHE A 35 9.132 9.476 -3.358 1.00100.00 C ATOM 495 O PHE A 35 8.713 9.906 -2.278 1.00100.00 O ATOM 496 CB PHE A 35 7.913 7.792 -4.861 1.00100.00 C ATOM 497 CG PHE A 35 6.474 7.784 -4.404 1.00100.00 C ATOM 498 CD1 PHE A 35 5.759 8.985 -4.314 1.00100.00 C ATOM 499 CD2 PHE A 35 5.841 6.569 -4.108 1.00100.00 C ATOM 500 CE1 PHE A 35 4.411 8.972 -3.933 1.00100.00 C ATOM 501 CE2 PHE A 35 4.492 6.556 -3.725 1.00100.00 C ATOM 502 CZ PHE A 35 3.776 7.757 -3.640 1.00100.00 C ATOM 0 H PHE A 35 7.966 6.794 -2.399 1.00100.00 H new ATOM 0 HA PHE A 35 9.886 7.735 -4.227 1.00100.00 H new ATOM 0 HB2 PHE A 35 8.033 8.564 -5.621 1.00100.00 H new ATOM 0 HB3 PHE A 35 8.132 6.837 -5.339 1.00100.00 H new ATOM 0 HD1 PHE A 35 6.247 9.922 -4.539 1.00100.00 H new ATOM 0 HD2 PHE A 35 6.392 5.643 -4.175 1.00100.00 H new ATOM 0 HE1 PHE A 35 3.861 9.899 -3.865 1.00100.00 H new ATOM 0 HE2 PHE A 35 4.005 5.620 -3.496 1.00100.00 H new ATOM 0 HZ PHE A 35 2.736 7.747 -3.349 1.00100.00 H new ATOM 512 N TYR A 36 9.772 10.240 -4.285 1.00100.00 N ATOM 513 CA TYR A 36 10.129 11.634 -4.154 1.00100.00 C ATOM 514 C TYR A 36 11.124 11.756 -3.038 1.00100.00 C ATOM 515 O TYR A 36 10.794 12.144 -1.918 1.00100.00 O ATOM 516 CB TYR A 36 8.996 12.688 -3.967 1.00100.00 C ATOM 517 CG TYR A 36 7.977 12.671 -5.082 1.00100.00 C ATOM 518 CD1 TYR A 36 8.372 12.965 -6.395 1.00100.00 C ATOM 519 CD2 TYR A 36 6.640 12.354 -4.802 1.00100.00 C ATOM 520 CE1 TYR A 36 7.430 12.946 -7.432 1.00100.00 C ATOM 521 CE2 TYR A 36 5.693 12.331 -5.834 1.00100.00 C ATOM 522 CZ TYR A 36 6.085 12.628 -7.154 1.00100.00 C ATOM 523 OH TYR A 36 5.166 12.605 -8.162 1.00100.00 O ATOM 0 H TYR A 36 10.058 9.855 -5.185 1.00100.00 H new ATOM 0 HA TYR A 36 10.523 11.897 -5.136 1.00100.00 H new ATOM 0 HB2 TYR A 36 8.491 12.504 -3.019 1.00100.00 H new ATOM 0 HB3 TYR A 36 9.440 13.682 -3.904 1.00100.00 H new ATOM 0 HD1 TYR A 36 9.403 13.206 -6.607 1.00100.00 H new ATOM 0 HD2 TYR A 36 6.340 12.127 -3.790 1.00100.00 H new ATOM 0 HE1 TYR A 36 7.734 13.175 -8.443 1.00100.00 H new ATOM 0 HE2 TYR A 36 4.664 12.086 -5.618 1.00100.00 H new ATOM 0 HH TYR A 36 4.288 12.367 -7.799 1.00100.00 H new ATOM 533 N LEU A 37 12.382 11.345 -3.334 1.00100.00 N ATOM 534 CA LEU A 37 13.485 11.377 -2.404 1.00100.00 C ATOM 535 C LEU A 37 13.781 12.786 -1.982 1.00100.00 C ATOM 536 O LEU A 37 13.964 13.048 -0.790 1.00100.00 O ATOM 537 CB LEU A 37 14.796 10.825 -3.002 1.00100.00 C ATOM 538 CG LEU A 37 14.660 9.345 -3.368 1.00100.00 C ATOM 539 CD1 LEU A 37 15.954 8.880 -4.034 1.00100.00 C ATOM 540 CD2 LEU A 37 14.408 8.491 -2.124 1.00100.00 C ATOM 0 H LEU A 37 12.640 10.979 -4.250 1.00100.00 H new ATOM 0 HA LEU A 37 13.170 10.754 -1.567 1.00100.00 H new ATOM 0 HB2 LEU A 37 15.063 11.398 -3.890 1.00100.00 H new ATOM 0 HB3 LEU A 37 15.607 10.952 -2.285 1.00100.00 H new ATOM 0 HG LEU A 37 13.813 9.230 -4.045 1.00100.00 H new ATOM 0 HD11 LEU A 37 15.868 7.826 -4.299 1.00100.00 H new ATOM 0 HD12 LEU A 37 16.131 9.468 -4.935 1.00100.00 H new ATOM 0 HD13 LEU A 37 16.787 9.014 -3.344 1.00100.00 H new ATOM 0 HD21 LEU A 37 14.315 7.444 -2.414 1.00100.00 H new ATOM 0 HD22 LEU A 37 15.242 8.603 -1.431 1.00100.00 H new ATOM 0 HD23 LEU A 37 13.487 8.816 -1.640 1.00100.00 H new ATOM 552 N LEU A 38 13.804 13.729 -2.956 1.00100.00 N ATOM 553 CA LEU A 38 14.076 15.100 -2.654 1.00100.00 C ATOM 554 C LEU A 38 12.767 15.760 -2.348 1.00100.00 C ATOM 555 O LEU A 38 12.055 16.234 -3.241 1.00100.00 O ATOM 556 CB LEU A 38 14.795 15.875 -3.785 1.00100.00 C ATOM 557 CG LEU A 38 16.108 15.206 -4.198 1.00100.00 C ATOM 558 CD1 LEU A 38 16.757 16.051 -5.293 1.00100.00 C ATOM 559 CD2 LEU A 38 17.067 15.089 -3.013 1.00100.00 C ATOM 0 H LEU A 38 13.635 13.537 -3.943 1.00100.00 H new ATOM 0 HA LEU A 38 14.764 15.120 -1.809 1.00100.00 H new ATOM 0 HB2 LEU A 38 14.137 15.945 -4.651 1.00100.00 H new ATOM 0 HB3 LEU A 38 14.996 16.894 -3.454 1.00100.00 H new ATOM 0 HG LEU A 38 15.894 14.200 -4.559 1.00100.00 H new ATOM 0 HD11 LEU A 38 17.695 15.589 -5.601 1.00100.00 H new ATOM 0 HD12 LEU A 38 16.086 16.114 -6.150 1.00100.00 H new ATOM 0 HD13 LEU A 38 16.954 17.053 -4.911 1.00100.00 H new ATOM 0 HD21 LEU A 38 17.990 14.610 -3.338 1.00100.00 H new ATOM 0 HD22 LEU A 38 17.291 16.083 -2.626 1.00100.00 H new ATOM 0 HD23 LEU A 38 16.604 14.490 -2.228 1.00100.00 H new ATOM 571 N LYS A 39 12.421 15.766 -1.040 1.00100.00 N ATOM 572 CA LYS A 39 11.209 16.395 -0.600 1.00100.00 C ATOM 573 C LYS A 39 11.692 17.670 0.003 1.00100.00 C ATOM 574 O LYS A 39 12.388 17.670 1.019 1.00100.00 O ATOM 575 CB LYS A 39 10.402 15.638 0.477 1.00100.00 C ATOM 576 CG LYS A 39 9.965 14.267 -0.018 1.00100.00 C ATOM 577 CD LYS A 39 9.068 13.634 1.040 1.00100.00 C ATOM 578 CE LYS A 39 8.557 12.284 0.553 1.00100.00 C ATOM 579 NZ LYS A 39 7.684 11.674 1.565 1.00100.00 N1+ ATOM 0 H LYS A 39 12.975 15.340 -0.297 1.00100.00 H new ATOM 0 HA LYS A 39 10.523 16.473 -1.444 1.00100.00 H new ATOM 0 HB2 LYS A 39 11.008 15.526 1.376 1.00100.00 H new ATOM 0 HB3 LYS A 39 9.525 16.223 0.755 1.00100.00 H new ATOM 0 HG2 LYS A 39 9.430 14.358 -0.963 1.00100.00 H new ATOM 0 HG3 LYS A 39 10.835 13.637 -0.204 1.00100.00 H new ATOM 0 HD2 LYS A 39 9.622 13.508 1.970 1.00100.00 H new ATOM 0 HD3 LYS A 39 8.227 14.293 1.257 1.00100.00 H new ATOM 0 HE2 LYS A 39 8.009 12.410 -0.381 1.00100.00 H new ATOM 0 HE3 LYS A 39 9.398 11.623 0.343 1.00100.00 H new ATOM 0 HZ1 LYS A 39 8.092 10.769 1.875 1.00100.00 H new ATOM 0 HZ2 LYS A 39 7.599 12.313 2.381 1.00100.00 H new ATOM 0 HZ3 LYS A 39 6.742 11.507 1.156 1.00100.00 H new ATOM 593 N TYR A 40 11.344 18.790 -0.659 1.00100.00 N ATOM 594 CA TYR A 40 11.714 20.118 -0.246 1.00100.00 C ATOM 595 C TYR A 40 11.071 20.504 1.052 1.00100.00 C ATOM 596 O TYR A 40 11.703 21.156 1.883 1.00100.00 O ATOM 597 CB TYR A 40 11.470 21.175 -1.344 1.00100.00 C ATOM 598 CG TYR A 40 12.229 20.849 -2.610 1.00100.00 C ATOM 599 CD1 TYR A 40 11.655 20.008 -3.575 1.00100.00 C ATOM 600 CD2 TYR A 40 13.528 21.345 -2.794 1.00100.00 C ATOM 601 CE1 TYR A 40 12.379 19.658 -4.723 1.00100.00 C ATOM 602 CE2 TYR A 40 14.258 21.000 -3.939 1.00100.00 C ATOM 603 CZ TYR A 40 13.687 20.150 -4.908 1.00100.00 C ATOM 604 OH TYR A 40 14.399 19.800 -6.016 1.00100.00 O ATOM 0 H TYR A 40 10.785 18.775 -1.512 1.00100.00 H new ATOM 0 HA TYR A 40 12.791 20.093 -0.077 1.00100.00 H new ATOM 0 HB2 TYR A 40 10.404 21.233 -1.563 1.00100.00 H new ATOM 0 HB3 TYR A 40 11.774 22.156 -0.979 1.00100.00 H new ATOM 0 HD1 TYR A 40 10.653 19.630 -3.433 1.00100.00 H new ATOM 0 HD2 TYR A 40 13.967 21.995 -2.051 1.00100.00 H new ATOM 0 HE1 TYR A 40 11.935 19.012 -5.466 1.00100.00 H new ATOM 0 HE2 TYR A 40 15.257 21.385 -4.079 1.00100.00 H new ATOM 0 HH TYR A 40 15.280 20.227 -5.987 1.00100.00 H new ATOM 614 N ASP A 41 9.789 20.102 1.241 1.00100.00 N ATOM 615 CA ASP A 41 9.012 20.374 2.428 1.00100.00 C ATOM 616 C ASP A 41 9.635 19.739 3.642 1.00100.00 C ATOM 617 O ASP A 41 9.731 20.385 4.688 1.00100.00 O ATOM 618 CB ASP A 41 7.567 19.840 2.323 1.00100.00 C ATOM 619 CG ASP A 41 6.861 20.411 1.101 1.00100.00 C ATOM 620 OD1 ASP A 41 6.990 21.637 0.888 1.00100.00 O ATOM 621 OD2 ASP A 41 6.206 19.611 0.398 1.00100.00 O1- ATOM 0 H ASP A 41 9.274 19.568 0.541 1.00100.00 H new ATOM 0 HA ASP A 41 8.994 21.460 2.522 1.00100.00 H new ATOM 0 HB2 ASP A 41 7.581 18.752 2.264 1.00100.00 H new ATOM 0 HB3 ASP A 41 7.012 20.103 3.224 1.00100.00 H new ATOM 626 N GLU A 42 10.081 18.462 3.516 1.00100.00 N ATOM 627 CA GLU A 42 10.710 17.748 4.599 1.00100.00 C ATOM 628 C GLU A 42 12.146 18.172 4.698 1.00100.00 C ATOM 629 O GLU A 42 12.770 18.523 3.692 1.00100.00 O ATOM 630 CB GLU A 42 10.715 16.221 4.414 1.00100.00 C ATOM 631 CG GLU A 42 9.297 15.656 4.350 1.00100.00 C ATOM 632 CD GLU A 42 8.557 15.881 5.662 1.00100.00 C ATOM 633 OE1 GLU A 42 9.065 15.387 6.692 1.00100.00 O ATOM 634 OE2 GLU A 42 7.499 16.544 5.612 1.00100.00 O1- ATOM 0 H GLU A 42 10.003 17.922 2.654 1.00100.00 H new ATOM 0 HA GLU A 42 10.130 17.986 5.491 1.00100.00 H new ATOM 0 HB2 GLU A 42 11.250 15.967 3.499 1.00100.00 H new ATOM 0 HB3 GLU A 42 11.255 15.756 5.239 1.00100.00 H new ATOM 0 HG2 GLU A 42 8.750 16.130 3.535 1.00100.00 H new ATOM 0 HG3 GLU A 42 9.337 14.589 4.130 1.00100.00 H new ATOM 641 N GLU A 43 12.695 18.143 5.931 1.00100.00 N ATOM 642 CA GLU A 43 14.060 18.534 6.133 1.00100.00 C ATOM 643 C GLU A 43 14.857 17.282 6.324 1.00100.00 C ATOM 644 O GLU A 43 14.538 16.437 7.166 1.00100.00 O ATOM 645 CB GLU A 43 14.281 19.485 7.336 1.00100.00 C ATOM 646 CG GLU A 43 15.761 19.853 7.450 1.00100.00 C ATOM 647 CD GLU A 43 16.025 20.811 8.608 1.00100.00 C ATOM 648 OE1 GLU A 43 15.035 21.260 9.226 1.00100.00 O ATOM 649 OE2 GLU A 43 17.220 21.079 8.854 1.00100.00 O1- ATOM 0 H GLU A 43 12.202 17.853 6.776 1.00100.00 H new ATOM 0 HA GLU A 43 14.377 19.102 5.258 1.00100.00 H new ATOM 0 HB2 GLU A 43 13.682 20.387 7.211 1.00100.00 H new ATOM 0 HB3 GLU A 43 13.946 19.005 8.255 1.00100.00 H new ATOM 0 HG2 GLU A 43 16.350 18.946 7.588 1.00100.00 H new ATOM 0 HG3 GLU A 43 16.094 20.310 6.518 1.00100.00 H new ATOM 656 N TRP A 44 15.924 17.167 5.499 1.00100.00 N ATOM 657 CA TRP A 44 16.862 16.075 5.454 1.00100.00 C ATOM 658 C TRP A 44 16.224 14.726 5.259 1.00100.00 C ATOM 659 O TRP A 44 16.644 13.729 5.850 1.00100.00 O ATOM 660 CB TRP A 44 17.857 16.033 6.648 1.00100.00 C ATOM 661 CG TRP A 44 18.906 17.097 6.684 1.00100.00 C ATOM 662 CD1 TRP A 44 19.039 18.117 5.807 1.00100.00 C ATOM 663 CD2 TRP A 44 19.993 17.251 7.643 1.00100.00 C ATOM 664 NE1 TRP A 44 20.131 18.885 6.156 1.00100.00 N ATOM 665 CE2 TRP A 44 20.761 18.390 7.280 1.00100.00 C ATOM 666 CE3 TRP A 44 20.411 16.534 8.779 1.00100.00 C ATOM 667 CZ2 TRP A 44 21.889 18.794 8.002 1.00100.00 C ATOM 668 CZ3 TRP A 44 21.538 16.933 9.513 1.00100.00 C ATOM 669 CH2 TRP A 44 22.279 18.058 9.128 1.00100.00 C ATOM 0 H TRP A 44 16.146 17.890 4.815 1.00100.00 H new ATOM 0 HA TRP A 44 17.444 16.296 4.559 1.00100.00 H new ATOM 0 HB2 TRP A 44 17.282 16.090 7.572 1.00100.00 H new ATOM 0 HB3 TRP A 44 18.355 15.064 6.642 1.00100.00 H new ATOM 0 HD1 TRP A 44 18.391 18.302 4.963 1.00100.00 H new ATOM 0 HE1 TRP A 44 20.435 19.715 5.647 1.00100.00 H new ATOM 0 HE3 TRP A 44 19.855 15.662 9.091 1.00100.00 H new ATOM 0 HZ2 TRP A 44 22.452 19.663 7.695 1.00100.00 H new ATOM 0 HZ3 TRP A 44 21.837 16.368 10.383 1.00100.00 H new ATOM 0 HH2 TRP A 44 23.147 18.356 9.697 1.00100.00 H new ATOM 680 N TYR A 45 15.180 14.665 4.395 1.00100.00 N ATOM 681 CA TYR A 45 14.488 13.431 4.123 1.00100.00 C ATOM 682 C TYR A 45 15.429 12.420 3.463 1.00100.00 C ATOM 683 O TYR A 45 15.459 11.277 3.937 1.00100.00 O ATOM 684 CB TYR A 45 13.197 13.675 3.293 1.00100.00 C ATOM 685 CG TYR A 45 12.307 12.460 3.247 1.00100.00 C ATOM 686 CD1 TYR A 45 11.529 12.141 4.368 1.00100.00 C ATOM 687 CD2 TYR A 45 12.278 11.645 2.108 1.00100.00 C ATOM 688 CE1 TYR A 45 10.718 11.000 4.357 1.00100.00 C ATOM 689 CE2 TYR A 45 11.463 10.505 2.085 1.00100.00 C ATOM 690 CZ TYR A 45 10.684 10.177 3.215 1.00100.00 C ATOM 691 OH TYR A 45 9.902 9.061 3.208 1.00100.00 O ATOM 0 H TYR A 45 14.817 15.471 3.886 1.00100.00 H new ATOM 0 HA TYR A 45 14.165 13.000 5.071 1.00100.00 H new ATOM 0 HB2 TYR A 45 12.645 14.511 3.722 1.00100.00 H new ATOM 0 HB3 TYR A 45 13.470 13.961 2.277 1.00100.00 H new ATOM 0 HD1 TYR A 45 11.555 12.776 5.241 1.00100.00 H new ATOM 0 HD2 TYR A 45 12.883 11.895 1.249 1.00100.00 H new ATOM 0 HE1 TYR A 45 10.120 10.752 5.222 1.00100.00 H new ATOM 0 HE2 TYR A 45 11.431 9.879 1.205 1.00100.00 H new ATOM 0 HH TYR A 45 9.738 8.782 2.283 1.00100.00 H new ATOM 701 N PRO A 46 16.230 12.774 2.390 1.00100.00 N ATOM 702 CA PRO A 46 17.159 11.847 1.787 1.00100.00 C ATOM 703 C PRO A 46 18.221 11.414 2.747 1.00100.00 C ATOM 704 O PRO A 46 18.618 10.255 2.686 1.00100.00 O ATOM 705 CB PRO A 46 17.722 12.517 0.534 1.00100.00 C ATOM 706 CG PRO A 46 17.499 14.003 0.808 1.00100.00 C ATOM 707 CD PRO A 46 16.253 14.045 1.693 1.00100.00 C ATOM 0 HA PRO A 46 16.651 10.924 1.507 1.00100.00 H new ATOM 0 HB2 PRO A 46 18.778 12.287 0.393 1.00100.00 H new ATOM 0 HB3 PRO A 46 17.202 12.190 -0.366 1.00100.00 H new ATOM 0 HG2 PRO A 46 18.358 14.447 1.310 1.00100.00 H new ATOM 0 HG3 PRO A 46 17.348 14.559 -0.117 1.00100.00 H new ATOM 0 HD2 PRO A 46 16.299 14.877 2.396 1.00100.00 H new ATOM 0 HD3 PRO A 46 15.352 14.181 1.095 1.00100.00 H new ATOM 715 N GLU A 47 18.678 12.329 3.634 1.00100.00 N ATOM 716 CA GLU A 47 19.688 12.042 4.616 1.00100.00 C ATOM 717 C GLU A 47 19.226 11.012 5.595 1.00100.00 C ATOM 718 O GLU A 47 20.006 10.129 5.956 1.00100.00 O ATOM 719 CB GLU A 47 20.242 13.293 5.330 1.00100.00 C ATOM 720 CG GLU A 47 21.180 14.126 4.453 1.00100.00 C ATOM 721 CD GLU A 47 20.446 14.970 3.418 1.00100.00 C ATOM 722 OE1 GLU A 47 19.202 15.050 3.506 1.00100.00 O1- ATOM 723 OE2 GLU A 47 21.153 15.541 2.560 1.00100.00 O ATOM 0 H GLU A 47 18.337 13.290 3.668 1.00100.00 H new ATOM 0 HA GLU A 47 20.528 11.629 4.057 1.00100.00 H new ATOM 0 HB2 GLU A 47 19.409 13.917 5.653 1.00100.00 H new ATOM 0 HB3 GLU A 47 20.776 12.983 6.229 1.00100.00 H new ATOM 0 HG2 GLU A 47 21.775 14.781 5.089 1.00100.00 H new ATOM 0 HG3 GLU A 47 21.875 13.460 3.942 1.00100.00 H new ATOM 730 N GLU A 48 17.945 11.097 6.035 1.00100.00 N ATOM 731 CA GLU A 48 17.387 10.138 6.954 1.00100.00 C ATOM 732 C GLU A 48 17.359 8.772 6.324 1.00100.00 C ATOM 733 O GLU A 48 17.721 7.791 6.975 1.00100.00 O ATOM 734 CB GLU A 48 15.979 10.518 7.431 1.00100.00 C ATOM 735 CG GLU A 48 16.032 11.725 8.367 1.00100.00 C ATOM 736 CD GLU A 48 14.636 12.218 8.737 1.00100.00 C ATOM 737 OE1 GLU A 48 13.658 11.626 8.231 1.00100.00 O ATOM 738 OE2 GLU A 48 14.573 13.186 9.525 1.00100.00 O1- ATOM 0 H GLU A 48 17.297 11.832 5.752 1.00100.00 H new ATOM 0 HA GLU A 48 18.033 10.132 7.832 1.00100.00 H new ATOM 0 HB2 GLU A 48 15.348 10.745 6.572 1.00100.00 H new ATOM 0 HB3 GLU A 48 15.524 9.672 7.946 1.00100.00 H new ATOM 0 HG2 GLU A 48 16.575 11.458 9.274 1.00100.00 H new ATOM 0 HG3 GLU A 48 16.587 12.532 7.888 1.00100.00 H new ATOM 745 N LEU A 49 16.946 8.695 5.033 1.00100.00 N ATOM 746 CA LEU A 49 16.893 7.453 4.301 1.00100.00 C ATOM 747 C LEU A 49 18.247 6.831 4.084 1.00100.00 C ATOM 748 O LEU A 49 18.394 5.619 4.250 1.00100.00 O ATOM 749 CB LEU A 49 16.227 7.596 2.922 1.00100.00 C ATOM 750 CG LEU A 49 14.754 8.001 3.024 1.00100.00 C ATOM 751 CD1 LEU A 49 14.222 8.284 1.621 1.00100.00 C ATOM 752 CD2 LEU A 49 13.924 6.881 3.654 1.00100.00 C ATOM 0 H LEU A 49 16.645 9.506 4.492 1.00100.00 H new ATOM 0 HA LEU A 49 16.291 6.806 4.939 1.00100.00 H new ATOM 0 HB2 LEU A 49 16.766 8.341 2.337 1.00100.00 H new ATOM 0 HB3 LEU A 49 16.305 6.651 2.384 1.00100.00 H new ATOM 0 HG LEU A 49 14.676 8.889 3.652 1.00100.00 H new ATOM 0 HD11 LEU A 49 13.173 8.574 1.681 1.00100.00 H new ATOM 0 HD12 LEU A 49 14.797 9.093 1.170 1.00100.00 H new ATOM 0 HD13 LEU A 49 14.316 7.387 1.008 1.00100.00 H new ATOM 0 HD21 LEU A 49 12.881 7.192 3.716 1.00100.00 H new ATOM 0 HD22 LEU A 49 13.999 5.983 3.040 1.00100.00 H new ATOM 0 HD23 LEU A 49 14.299 6.669 4.655 1.00100.00 H new ATOM 764 N LEU A 50 19.265 7.660 3.743 1.00100.00 N ATOM 765 CA LEU A 50 20.603 7.194 3.472 1.00100.00 C ATOM 766 C LEU A 50 21.351 6.718 4.676 1.00100.00 C ATOM 767 O LEU A 50 21.412 7.383 5.711 1.00100.00 O ATOM 768 CB LEU A 50 21.507 8.241 2.785 1.00100.00 C ATOM 769 CG LEU A 50 21.026 8.569 1.370 1.00100.00 C ATOM 770 CD1 LEU A 50 21.813 9.772 0.853 1.00100.00 C ATOM 771 CD2 LEU A 50 21.249 7.384 0.431 1.00100.00 C ATOM 0 H LEU A 50 19.157 8.670 3.654 1.00100.00 H new ATOM 0 HA LEU A 50 20.409 6.358 2.800 1.00100.00 H new ATOM 0 HB2 LEU A 50 21.526 9.152 3.383 1.00100.00 H new ATOM 0 HB3 LEU A 50 22.530 7.866 2.743 1.00100.00 H new ATOM 0 HG LEU A 50 19.959 8.790 1.401 1.00100.00 H new ATOM 0 HD11 LEU A 50 21.481 10.018 -0.156 1.00100.00 H new ATOM 0 HD12 LEU A 50 21.644 10.626 1.509 1.00100.00 H new ATOM 0 HD13 LEU A 50 22.876 9.532 0.836 1.00100.00 H new ATOM 0 HD21 LEU A 50 20.899 7.641 -0.569 1.00100.00 H new ATOM 0 HD22 LEU A 50 22.312 7.145 0.393 1.00100.00 H new ATOM 0 HD23 LEU A 50 20.695 6.520 0.798 1.00100.00 H new ATOM 783 N THR A 51 21.922 5.499 4.530 1.00100.00 N ATOM 784 CA THR A 51 22.720 4.832 5.532 1.00100.00 C ATOM 785 C THR A 51 23.994 5.608 5.785 1.00100.00 C ATOM 786 O THR A 51 24.359 5.834 6.942 1.00100.00 O ATOM 787 CB THR A 51 23.040 3.411 5.091 1.00100.00 C ATOM 788 OG1 THR A 51 21.836 2.694 4.921 1.00100.00 O ATOM 789 CG2 THR A 51 23.900 2.705 6.139 1.00100.00 C ATOM 0 H THR A 51 21.824 4.952 3.675 1.00100.00 H new ATOM 0 HA THR A 51 22.151 4.785 6.461 1.00100.00 H new ATOM 0 HB THR A 51 23.590 3.451 4.151 1.00100.00 H new ATOM 0 HG1 THR A 51 22.038 1.779 4.635 1.00100.00 H new ATOM 0 HG21 THR A 51 24.119 1.690 5.807 1.00100.00 H new ATOM 0 HG22 THR A 51 24.833 3.252 6.273 1.00100.00 H new ATOM 0 HG23 THR A 51 23.362 2.668 7.086 1.00100.00 H new ATOM 797 N ASP A 52 24.661 6.052 4.689 1.00100.00 N ATOM 798 CA ASP A 52 25.891 6.796 4.766 1.00100.00 C ATOM 799 C ASP A 52 25.631 8.158 4.208 1.00100.00 C ATOM 800 O ASP A 52 25.056 8.303 3.126 1.00100.00 O ATOM 801 CB ASP A 52 27.068 6.186 3.961 1.00100.00 C ATOM 802 CG ASP A 52 27.430 4.814 4.511 1.00100.00 C ATOM 803 OD1 ASP A 52 27.832 4.765 5.694 1.00100.00 O ATOM 804 OD2 ASP A 52 27.294 3.837 3.741 1.00100.00 O1- ATOM 0 H ASP A 52 24.338 5.890 3.735 1.00100.00 H new ATOM 0 HA ASP A 52 26.190 6.795 5.814 1.00100.00 H new ATOM 0 HB2 ASP A 52 26.794 6.103 2.909 1.00100.00 H new ATOM 0 HB3 ASP A 52 27.934 6.846 4.013 1.00100.00 H new ATOM 809 N GLY A 53 26.040 9.187 4.979 1.00100.00 N ATOM 810 CA GLY A 53 25.868 10.567 4.621 1.00100.00 C ATOM 811 C GLY A 53 27.102 11.219 4.078 1.00100.00 C ATOM 812 O GLY A 53 27.113 12.440 3.959 1.00100.00 O ATOM 0 H GLY A 53 26.504 9.056 5.878 1.00100.00 H new ATOM 0 HA2 GLY A 53 25.074 10.642 3.878 1.00100.00 H new ATOM 0 HA3 GLY A 53 25.535 11.120 5.499 1.00100.00 H new ATOM 816 N GLU A 54 28.151 10.436 3.725 1.00100.00 N ATOM 817 CA GLU A 54 29.412 10.940 3.227 1.00100.00 C ATOM 818 C GLU A 54 29.261 11.740 1.958 1.00100.00 C ATOM 819 O GLU A 54 29.850 12.815 1.839 1.00100.00 O ATOM 820 CB GLU A 54 30.356 9.797 2.831 1.00100.00 C ATOM 821 CG GLU A 54 30.722 8.948 4.047 1.00100.00 C ATOM 822 CD GLU A 54 31.625 7.785 3.653 1.00100.00 C ATOM 823 OE1 GLU A 54 32.302 7.909 2.609 1.00100.00 O ATOM 824 OE2 GLU A 54 31.622 6.788 4.408 1.00100.00 O1- ATOM 0 H GLU A 54 28.122 9.418 3.788 1.00100.00 H new ATOM 0 HA GLU A 54 29.798 11.549 4.044 1.00100.00 H new ATOM 0 HB2 GLU A 54 29.880 9.172 2.076 1.00100.00 H new ATOM 0 HB3 GLU A 54 31.261 10.206 2.382 1.00100.00 H new ATOM 0 HG2 GLU A 54 31.225 9.568 4.789 1.00100.00 H new ATOM 0 HG3 GLU A 54 29.814 8.566 4.514 1.00100.00 H new ATOM 831 N ASP A 55 28.485 11.217 0.978 1.00100.00 N ATOM 832 CA ASP A 55 28.258 11.880 -0.284 1.00100.00 C ATOM 833 C ASP A 55 27.477 13.150 -0.100 1.00100.00 C ATOM 834 O ASP A 55 27.863 14.201 -0.617 1.00100.00 O ATOM 835 CB ASP A 55 27.476 10.983 -1.279 1.00100.00 C ATOM 836 CG ASP A 55 28.190 9.654 -1.506 1.00100.00 C ATOM 837 OD1 ASP A 55 29.440 9.660 -1.468 1.00100.00 O ATOM 838 OD2 ASP A 55 27.469 8.655 -1.712 1.00100.00 O1- ATOM 0 H ASP A 55 28.007 10.320 1.062 1.00100.00 H new ATOM 0 HA ASP A 55 29.246 12.099 -0.689 1.00100.00 H new ATOM 0 HB2 ASP A 55 26.473 10.798 -0.894 1.00100.00 H new ATOM 0 HB3 ASP A 55 27.362 11.504 -2.230 1.00100.00 H new ATOM 843 N ASP A 56 26.370 13.062 0.679 1.00100.00 N ATOM 844 CA ASP A 56 25.513 14.185 0.942 1.00100.00 C ATOM 845 C ASP A 56 25.888 14.938 2.191 1.00100.00 C ATOM 846 O ASP A 56 25.117 15.015 3.151 1.00100.00 O ATOM 847 CB ASP A 56 24.001 13.811 0.943 1.00100.00 C ATOM 848 CG ASP A 56 23.555 13.242 -0.399 1.00100.00 C ATOM 849 OD1 ASP A 56 24.247 13.520 -1.403 1.00100.00 O ATOM 850 OD2 ASP A 56 22.518 12.545 -0.398 1.00100.00 O1- ATOM 0 H ASP A 56 26.069 12.198 1.131 1.00100.00 H new ATOM 0 HA ASP A 56 25.676 14.861 0.103 1.00100.00 H new ATOM 0 HB2 ASP A 56 23.808 13.081 1.729 1.00100.00 H new ATOM 0 HB3 ASP A 56 23.408 14.695 1.177 1.00100.00 H new ATOM 855 N VAL A 57 27.109 15.511 2.203 1.00100.00 N ATOM 856 CA VAL A 57 27.553 16.295 3.328 1.00100.00 C ATOM 857 C VAL A 57 28.446 17.382 2.784 1.00100.00 C ATOM 858 O VAL A 57 29.016 17.257 1.696 1.00100.00 O ATOM 859 CB VAL A 57 28.250 15.506 4.453 1.00100.00 C ATOM 860 CG1 VAL A 57 29.683 15.145 4.072 1.00100.00 C ATOM 861 CG2 VAL A 57 28.271 16.298 5.761 1.00100.00 C ATOM 0 H VAL A 57 27.786 15.435 1.444 1.00100.00 H new ATOM 0 HA VAL A 57 26.669 16.698 3.822 1.00100.00 H new ATOM 0 HB VAL A 57 27.674 14.592 4.596 1.00100.00 H new ATOM 0 HG11 VAL A 57 30.147 14.589 4.887 1.00100.00 H new ATOM 0 HG12 VAL A 57 29.676 14.531 3.171 1.00100.00 H new ATOM 0 HG13 VAL A 57 30.251 16.057 3.886 1.00100.00 H new ATOM 0 HG21 VAL A 57 28.770 15.712 6.533 1.00100.00 H new ATOM 0 HG22 VAL A 57 28.809 17.234 5.611 1.00100.00 H new ATOM 0 HG23 VAL A 57 27.249 16.513 6.072 1.00100.00 H new ATOM 871 N PHE A 58 28.549 18.489 3.551 1.00100.00 N ATOM 872 CA PHE A 58 29.367 19.639 3.254 1.00100.00 C ATOM 873 C PHE A 58 30.799 19.213 3.494 1.00100.00 C ATOM 874 O PHE A 58 31.059 18.375 4.360 1.00100.00 O ATOM 875 CB PHE A 58 29.058 20.836 4.189 1.00100.00 C ATOM 876 CG PHE A 58 27.614 21.268 4.122 1.00100.00 C ATOM 877 CD1 PHE A 58 26.667 20.679 4.970 1.00100.00 C ATOM 878 CD2 PHE A 58 27.216 22.242 3.195 1.00100.00 C ATOM 879 CE1 PHE A 58 25.323 21.066 4.897 1.00100.00 C ATOM 880 CE2 PHE A 58 25.871 22.629 3.123 1.00100.00 C ATOM 881 CZ PHE A 58 24.925 22.042 3.974 1.00100.00 C ATOM 0 H PHE A 58 28.035 18.590 4.426 1.00100.00 H new ATOM 0 HA PHE A 58 29.177 19.963 2.231 1.00100.00 H new ATOM 0 HB2 PHE A 58 29.304 20.563 5.215 1.00100.00 H new ATOM 0 HB3 PHE A 58 29.698 21.677 3.920 1.00100.00 H new ATOM 0 HD1 PHE A 58 26.974 19.926 5.681 1.00100.00 H new ATOM 0 HD2 PHE A 58 27.945 22.693 2.538 1.00100.00 H new ATOM 0 HE1 PHE A 58 24.594 20.612 5.552 1.00100.00 H new ATOM 0 HE2 PHE A 58 25.563 23.380 2.411 1.00100.00 H new ATOM 0 HZ PHE A 58 23.889 22.342 3.918 1.00100.00 H new ATOM 891 N ASP A 59 31.764 19.805 2.744 1.00100.00 N ATOM 892 CA ASP A 59 33.165 19.453 2.847 1.00100.00 C ATOM 893 C ASP A 59 33.812 19.659 4.206 1.00100.00 C ATOM 894 O ASP A 59 34.527 18.746 4.628 1.00100.00 O ATOM 895 CB ASP A 59 34.058 20.099 1.752 1.00100.00 C ATOM 896 CG ASP A 59 33.524 19.780 0.361 1.00100.00 C ATOM 897 OD1 ASP A 59 33.269 18.582 0.111 1.00100.00 O ATOM 898 OD2 ASP A 59 33.374 20.741 -0.424 1.00100.00 O1- ATOM 0 H ASP A 59 31.572 20.536 2.059 1.00100.00 H new ATOM 0 HA ASP A 59 33.120 18.376 2.686 1.00100.00 H new ATOM 0 HB2 ASP A 59 34.092 21.179 1.895 1.00100.00 H new ATOM 0 HB3 ASP A 59 35.080 19.733 1.847 1.00100.00 H new ATOM 903 N PRO A 60 33.599 20.795 4.949 1.00100.00 N ATOM 904 CA PRO A 60 34.207 21.003 6.249 1.00100.00 C ATOM 905 C PRO A 60 33.800 20.015 7.309 1.00100.00 C ATOM 906 O PRO A 60 34.594 19.816 8.231 1.00100.00 O ATOM 907 CB PRO A 60 33.840 22.425 6.669 1.00100.00 C ATOM 908 CG PRO A 60 33.485 23.108 5.348 1.00100.00 C ATOM 909 CD PRO A 60 32.885 21.976 4.518 1.00100.00 C ATOM 0 HA PRO A 60 35.282 20.851 6.153 1.00100.00 H new ATOM 0 HB2 PRO A 60 33.000 22.434 7.364 1.00100.00 H new ATOM 0 HB3 PRO A 60 34.671 22.923 7.168 1.00100.00 H new ATOM 0 HG2 PRO A 60 32.773 23.921 5.494 1.00100.00 H new ATOM 0 HG3 PRO A 60 34.365 23.537 4.868 1.00100.00 H new ATOM 0 HD2 PRO A 60 31.814 21.879 4.694 1.00100.00 H new ATOM 0 HD3 PRO A 60 33.018 22.153 3.451 1.00100.00 H new ATOM 917 N ASP A 61 32.593 19.405 7.211 1.00100.00 N ATOM 918 CA ASP A 61 32.148 18.478 8.218 1.00100.00 C ATOM 919 C ASP A 61 32.145 17.087 7.672 1.00100.00 C ATOM 920 O ASP A 61 31.509 16.813 6.653 1.00100.00 O ATOM 921 CB ASP A 61 30.712 18.768 8.720 1.00100.00 C ATOM 922 CG ASP A 61 30.595 20.187 9.263 1.00100.00 C ATOM 923 OD1 ASP A 61 31.547 20.613 9.954 1.00100.00 O ATOM 924 OD2 ASP A 61 29.558 20.820 8.974 1.00100.00 O1- ATOM 0 H ASP A 61 31.935 19.552 6.445 1.00100.00 H new ATOM 0 HA ASP A 61 32.844 18.590 9.049 1.00100.00 H new ATOM 0 HB2 ASP A 61 30.003 18.628 7.904 1.00100.00 H new ATOM 0 HB3 ASP A 61 30.445 18.054 9.499 1.00100.00 H new ATOM 929 N LEU A 62 32.879 16.177 8.348 1.00100.00 N ATOM 930 CA LEU A 62 32.929 14.805 7.923 1.00100.00 C ATOM 931 C LEU A 62 32.291 13.963 8.976 1.00100.00 C ATOM 932 O LEU A 62 32.720 13.921 10.133 1.00100.00 O ATOM 933 CB LEU A 62 34.340 14.275 7.583 1.00100.00 C ATOM 934 CG LEU A 62 35.007 15.124 6.498 1.00100.00 C ATOM 935 CD1 LEU A 62 36.425 14.601 6.269 1.00100.00 C ATOM 936 CD2 LEU A 62 34.232 15.054 5.181 1.00100.00 C ATOM 0 H LEU A 62 33.432 16.387 9.179 1.00100.00 H new ATOM 0 HA LEU A 62 32.385 14.748 6.980 1.00100.00 H new ATOM 0 HB2 LEU A 62 34.958 14.278 8.481 1.00100.00 H new ATOM 0 HB3 LEU A 62 34.271 13.240 7.247 1.00100.00 H new ATOM 0 HG LEU A 62 35.023 16.162 6.830 1.00100.00 H new ATOM 0 HD11 LEU A 62 36.913 15.197 5.498 1.00100.00 H new ATOM 0 HD12 LEU A 62 36.993 14.673 7.196 1.00100.00 H new ATOM 0 HD13 LEU A 62 36.382 13.560 5.949 1.00100.00 H new ATOM 0 HD21 LEU A 62 34.732 15.668 4.432 1.00100.00 H new ATOM 0 HD22 LEU A 62 34.193 14.021 4.836 1.00100.00 H new ATOM 0 HD23 LEU A 62 33.218 15.424 5.335 1.00100.00 H new ATOM 948 N ASP A 63 31.220 13.265 8.541 1.00100.00 N ATOM 949 CA ASP A 63 30.410 12.391 9.346 1.00100.00 C ATOM 950 C ASP A 63 31.185 11.226 9.875 1.00100.00 C ATOM 951 O ASP A 63 31.006 10.853 11.032 1.00100.00 O ATOM 952 CB ASP A 63 29.186 11.829 8.583 1.00100.00 C ATOM 953 CG ASP A 63 28.122 12.878 8.292 1.00100.00 C ATOM 954 OD1 ASP A 63 28.172 13.951 8.931 1.00100.00 O ATOM 955 OD2 ASP A 63 27.264 12.575 7.433 1.00100.00 O1- ATOM 0 H ASP A 63 30.901 13.313 7.573 1.00100.00 H new ATOM 0 HA ASP A 63 30.068 13.019 10.168 1.00100.00 H new ATOM 0 HB2 ASP A 63 29.522 11.393 7.643 1.00100.00 H new ATOM 0 HB3 ASP A 63 28.741 11.023 9.167 1.00100.00 H new ATOM 960 N MET A 64 32.063 10.623 9.040 1.00100.00 N ATOM 961 CA MET A 64 32.861 9.485 9.431 1.00100.00 C ATOM 962 C MET A 64 33.819 9.812 10.534 1.00100.00 C ATOM 963 O MET A 64 33.917 9.064 11.507 1.00100.00 O ATOM 964 CB MET A 64 33.668 8.882 8.270 1.00100.00 C ATOM 965 CG MET A 64 32.756 8.378 7.151 1.00100.00 C ATOM 966 SD MET A 64 31.631 7.038 7.629 1.00100.00 S ATOM 967 CE MET A 64 30.144 8.000 8.012 1.00100.00 C ATOM 0 H MET A 64 32.223 10.928 8.080 1.00100.00 H new ATOM 0 HA MET A 64 32.131 8.753 9.776 1.00100.00 H new ATOM 0 HB2 MET A 64 34.351 9.633 7.873 1.00100.00 H new ATOM 0 HB3 MET A 64 34.279 8.059 8.640 1.00100.00 H new ATOM 0 HG2 MET A 64 32.164 9.215 6.780 1.00100.00 H new ATOM 0 HG3 MET A 64 33.376 8.034 6.323 1.00100.00 H new ATOM 0 HE1 MET A 64 29.935 7.937 9.080 1.00100.00 H new ATOM 0 HE2 MET A 64 30.303 9.042 7.735 1.00100.00 H new ATOM 0 HE3 MET A 64 29.298 7.601 7.452 1.00100.00 H new ATOM 977 N GLU A 65 34.460 10.997 10.440 1.00100.00 N ATOM 978 CA GLU A 65 35.418 11.461 11.399 1.00100.00 C ATOM 979 C GLU A 65 34.845 11.699 12.763 1.00100.00 C ATOM 980 O GLU A 65 35.454 11.278 13.748 1.00100.00 O ATOM 981 CB GLU A 65 36.107 12.764 10.952 1.00100.00 C ATOM 982 CG GLU A 65 36.831 12.560 9.622 1.00100.00 C ATOM 983 CD GLU A 65 37.895 11.477 9.734 1.00100.00 C ATOM 984 OE1 GLU A 65 38.902 11.741 10.426 1.00100.00 O ATOM 985 OE2 GLU A 65 37.681 10.405 9.129 1.00100.00 O1- ATOM 0 H GLU A 65 34.305 11.651 9.672 1.00100.00 H new ATOM 0 HA GLU A 65 36.140 10.647 11.458 1.00100.00 H new ATOM 0 HB2 GLU A 65 35.366 13.557 10.851 1.00100.00 H new ATOM 0 HB3 GLU A 65 36.817 13.086 11.713 1.00100.00 H new ATOM 0 HG2 GLU A 65 36.110 12.287 8.851 1.00100.00 H new ATOM 0 HG3 GLU A 65 37.293 13.496 9.309 1.00100.00 H new ATOM 992 N VAL A 66 33.647 12.333 12.853 1.00100.00 N ATOM 993 CA VAL A 66 33.083 12.632 14.149 1.00100.00 C ATOM 994 C VAL A 66 31.845 11.802 14.350 1.00100.00 C ATOM 995 O VAL A 66 30.921 11.840 13.540 1.00100.00 O ATOM 996 CB VAL A 66 32.763 14.118 14.312 1.00100.00 C ATOM 997 CG1 VAL A 66 32.217 14.398 15.711 1.00100.00 C ATOM 998 CG2 VAL A 66 34.031 14.945 14.095 1.00100.00 C ATOM 0 H VAL A 66 33.085 12.630 12.056 1.00100.00 H new ATOM 0 HA VAL A 66 33.825 12.386 14.908 1.00100.00 H new ATOM 0 HB VAL A 66 32.009 14.392 13.574 1.00100.00 H new ATOM 0 HG11 VAL A 66 31.995 15.461 15.809 1.00100.00 H new ATOM 0 HG12 VAL A 66 31.306 13.821 15.868 1.00100.00 H new ATOM 0 HG13 VAL A 66 32.960 14.113 16.455 1.00100.00 H new ATOM 0 HG21 VAL A 66 33.799 16.004 14.212 1.00100.00 H new ATOM 0 HG22 VAL A 66 34.784 14.655 14.828 1.00100.00 H new ATOM 0 HG23 VAL A 66 34.414 14.766 13.090 1.00100.00 H new ATOM 1008 N VAL A 67 31.832 11.026 15.462 1.00100.00 N ATOM 1009 CA VAL A 67 30.741 10.159 15.867 1.00100.00 C ATOM 1010 C VAL A 67 29.521 11.005 16.180 1.00100.00 C ATOM 1011 O VAL A 67 28.400 10.648 15.809 1.00100.00 O ATOM 1012 CB VAL A 67 31.125 9.278 17.055 1.00100.00 C ATOM 1013 CG1 VAL A 67 29.951 8.382 17.450 1.00100.00 C ATOM 1014 CG2 VAL A 67 32.322 8.402 16.686 1.00100.00 C ATOM 0 H VAL A 67 32.617 10.999 16.112 1.00100.00 H new ATOM 0 HA VAL A 67 30.509 9.483 15.044 1.00100.00 H new ATOM 0 HB VAL A 67 31.386 9.922 17.895 1.00100.00 H new ATOM 0 HG11 VAL A 67 30.238 7.759 18.297 1.00100.00 H new ATOM 0 HG12 VAL A 67 29.098 9.001 17.727 1.00100.00 H new ATOM 0 HG13 VAL A 67 29.679 7.746 16.608 1.00100.00 H new ATOM 0 HG21 VAL A 67 32.591 7.776 17.537 1.00100.00 H new ATOM 0 HG22 VAL A 67 32.062 7.769 15.838 1.00100.00 H new ATOM 0 HG23 VAL A 67 33.168 9.035 16.420 1.00100.00 H new ATOM 1024 N PHE A 68 29.735 12.155 16.863 1.00100.00 N ATOM 1025 CA PHE A 68 28.702 13.089 17.243 1.00100.00 C ATOM 1026 C PHE A 68 28.111 13.749 16.029 1.00100.00 C ATOM 1027 O PHE A 68 28.825 14.095 15.086 1.00100.00 O ATOM 1028 CB PHE A 68 29.214 14.246 18.130 1.00100.00 C ATOM 1029 CG PHE A 68 29.820 13.760 19.424 1.00100.00 C ATOM 1030 CD1 PHE A 68 31.186 13.450 19.485 1.00100.00 C ATOM 1031 CD2 PHE A 68 29.014 13.596 20.558 1.00100.00 C ATOM 1032 CE1 PHE A 68 31.746 12.984 20.682 1.00100.00 C ATOM 1033 CE2 PHE A 68 29.574 13.129 21.755 1.00100.00 C ATOM 1034 CZ PHE A 68 30.940 12.823 21.816 1.00100.00 C ATOM 0 H PHE A 68 30.665 12.447 17.163 1.00100.00 H new ATOM 0 HA PHE A 68 27.977 12.489 17.794 1.00100.00 H new ATOM 0 HB2 PHE A 68 29.958 14.821 17.578 1.00100.00 H new ATOM 0 HB3 PHE A 68 28.388 14.922 18.351 1.00100.00 H new ATOM 0 HD1 PHE A 68 31.807 13.570 18.609 1.00100.00 H new ATOM 0 HD2 PHE A 68 27.961 13.830 20.510 1.00100.00 H new ATOM 0 HE1 PHE A 68 32.799 12.749 20.730 1.00100.00 H new ATOM 0 HE2 PHE A 68 28.953 13.005 22.630 1.00100.00 H new ATOM 0 HZ PHE A 68 31.372 12.463 22.738 1.00100.00 H new ATOM 1044 N GLU A 69 26.768 13.924 16.058 1.00100.00 N ATOM 1045 CA GLU A 69 25.960 14.546 15.033 1.00100.00 C ATOM 1046 C GLU A 69 26.146 13.955 13.653 1.00100.00 C ATOM 1047 O GLU A 69 26.226 14.673 12.652 1.00100.00 O ATOM 1048 CB GLU A 69 26.110 16.091 15.004 1.00100.00 C ATOM 1049 CG GLU A 69 25.768 16.683 16.370 1.00100.00 C ATOM 1050 CD GLU A 69 25.883 18.202 16.343 1.00100.00 C ATOM 1051 OE1 GLU A 69 27.036 18.682 16.294 1.00100.00 O ATOM 1052 OE2 GLU A 69 24.817 18.853 16.367 1.00100.00 O1- ATOM 0 H GLU A 69 26.208 13.610 16.850 1.00100.00 H new ATOM 0 HA GLU A 69 24.935 14.317 15.325 1.00100.00 H new ATOM 0 HB2 GLU A 69 27.130 16.359 14.729 1.00100.00 H new ATOM 0 HB3 GLU A 69 25.454 16.513 14.243 1.00100.00 H new ATOM 0 HG2 GLU A 69 24.756 16.395 16.653 1.00100.00 H new ATOM 0 HG3 GLU A 69 26.439 16.276 17.127 1.00100.00 H new ATOM 1059 N THR A 70 26.222 12.604 13.579 1.00100.00 N ATOM 1060 CA THR A 70 26.367 11.923 12.318 1.00100.00 C ATOM 1061 C THR A 70 24.980 11.852 11.741 1.00100.00 C ATOM 1062 O THR A 70 24.028 11.459 12.423 1.00100.00 O ATOM 1063 CB THR A 70 26.969 10.535 12.443 1.00100.00 C ATOM 1064 OG1 THR A 70 28.318 10.655 12.838 1.00100.00 O ATOM 1065 CG2 THR A 70 26.881 9.794 11.110 1.00100.00 C ATOM 0 H THR A 70 26.183 11.986 14.390 1.00100.00 H new ATOM 0 HA THR A 70 27.064 12.466 11.680 1.00100.00 H new ATOM 0 HB THR A 70 26.414 9.966 13.189 1.00100.00 H new ATOM 0 HG1 THR A 70 28.372 10.673 13.816 1.00100.00 H new ATOM 0 HG21 THR A 70 27.317 8.801 11.216 1.00100.00 H new ATOM 0 HG22 THR A 70 25.836 9.702 10.813 1.00100.00 H new ATOM 0 HG23 THR A 70 27.427 10.350 10.348 1.00100.00 H new ATOM 1073 N GLN A 71 24.854 12.272 10.464 1.00100.00 N ATOM 1074 CA GLN A 71 23.582 12.260 9.795 1.00100.00 C ATOM 1075 C GLN A 71 23.446 10.907 9.099 1.00100.00 C ATOM 1076 O GLN A 71 22.444 10.206 9.396 1.00100.00 O ATOM 1077 CB GLN A 71 23.366 13.349 8.714 1.00100.00 C ATOM 1078 CG GLN A 71 24.545 14.310 8.568 1.00100.00 C ATOM 1079 CD GLN A 71 24.499 15.012 7.215 1.00100.00 C ATOM 1080 OE1 GLN A 71 23.809 16.014 7.049 1.00100.00 O ATOM 1081 NE2 GLN A 71 25.239 14.475 6.240 1.00100.00 N ATOM 1082 OXT GLN A 71 24.342 10.594 8.285 1.00100.00 O1- ATOM 0 H GLN A 71 25.628 12.618 9.897 1.00100.00 H new ATOM 0 HA GLN A 71 22.842 12.457 10.570 1.00100.00 H new ATOM 0 HB2 GLN A 71 23.182 12.865 7.755 1.00100.00 H new ATOM 0 HB3 GLN A 71 22.471 13.920 8.960 1.00100.00 H new ATOM 0 HG2 GLN A 71 24.520 15.049 9.369 1.00100.00 H new ATOM 0 HG3 GLN A 71 25.482 13.763 8.668 1.00100.00 H new ATOM 0 HE21 GLN A 71 25.797 13.641 6.424 1.00100.00 H new ATOM 0 HE22 GLN A 71 25.245 14.899 5.312 1.00100.00 H new TER 1091 GLN A 71 HETATM 1092 ZN ZN A 101 -0.121 0.076 0.159 1.00 73.25 ZN